Crystallography Open Database

Information card for entry 1572783

Preview

Coordinates	1572783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C744 N28 O48 P48 Pt24
Calculated formula	C744 N28 O48 P48 Pt24
SMILES	[Pt]1(OC(c2cc3cc(c2)c2ccc(cc2)N2c4ccc(cc4)c4cc5cc(c4)C(O[Pt]([n]4ccc(cc4)c4ccc(cc4)c4c(c6ccc(cc6)c6cc[n]([Pt](OC5=O)([P](CC)(CC)CC)[P](CC)(CC)CC)cc6)c5c6ccc(c7cc[n](cc7)[Pt](OC(c7cc8cc(c9ccc(cc9)N9c%10ccc(c%11cc%12cc(C(O[Pt]([n]%13ccc(c%14ccc(c%15c(c%16c%17ccc(c%18cc[n]([Pt](OC(c%19cc(cc(c%20ccc2cc%20)c%19)C(O[Pt]([n]2ccc(c%19ccc(c%16c%16c%15c%15ccc(cc%15)c%15cc[n]([Pt](OC(c%20cc(C(=O)O[Pt]([n]%21ccc(c%22ccc%16cc%22)cc%21)([P](CC)(CC)CC)[P](CC)(CC)CC)cc(c%20)c%16ccc(cc%16)N%16c%20ccc(c%21cc%22cc(C(=O)O[Pt]([n]%23ccc(c%24ccc(c%25c(c(c(c%26c%27ccc(c%28cc[n]([Pt](OC(c%29cc(cc(c%30ccc(cc%30)N(c%30ccc(c%31cc%32cc(C(O[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)[n]%33ccc(c%34ccc(c%35c(c%36c%37ccc(c%38cc[n]([Pt](OC(c%39cc(cc(c%40ccc9cc%40)c%39)C(O[Pt]([n]9ccc(c%39ccc(c%36c%36c%35c%35ccc(cc%35)c%35cc[n]([Pt](OC(c%40cc(C(=O)O[Pt]([n]%41ccc(c%42ccc%36cc%42)cc%41)([P](CC)(CC)CC)[P](CC)(CC)CC)cc(c%40)c%36ccc%16cc%36)=O)([P](CC)(CC)CC)[P](CC)(CC)CC)cc%35)cc%39)cc9)([P](CC)(CC)CC)[P](CC)(CC)CC)=O)=O)([P](CC)(CC)CC)[P](CC)(CC)CC)cc%38)cc%37)c9ccc(cc9)c9cc[n]([Pt](OC%32=O)([P](CC)(CC)CC)[P](CC)(CC)CC)cc9)cc%34)cc%33)=O)c%31)cc%30)c9ccc(cc9)c9cc%16cc(c9)C(O[Pt]([n]9ccc(cc9)c9ccc(cc9)c(c4c4ccc(cc4)c4cc[n](cc4)[Pt](OC%16=O)([P](CC)(CC)CC)[P](CC)(CC)CC)c5c4ccc(cc4)c4cc[n](cc4)[Pt](OC8=O)([P](CC)(CC)CC)[P](CC)(CC)CC)([P](CC)(CC)CC)[P](CC)(CC)CC)=O)c%29)C(O[Pt]([n]4ccc(c5ccc(c%25%26)cc5)cc4)([P](CC)(CC)CC)[P](CC)(CC)CC)=O)=O)([P](CC)(CC)CC)[P](CC)(CC)CC)cc%28)cc%27)c4ccc(cc4)c4cc[n]([Pt](OC3=O)([P](CC)(CC)CC)[P](CC)(CC)CC)cc4)c3ccc(cc3)c3cc[n]1cc3)c1ccc(cc1)c1cc[n]([Pt](OC%22=O)([P](CC)(CC)CC)[P](CC)(CC)CC)cc1)cc%24)cc%23)([P](CC)(CC)CC)[P](CC)(CC)CC)c%21)cc%20)=O)([P](CC)(CC)CC)[P](CC)(CC)CC)cc%15)cc%19)cc2)([P](CC)(CC)CC)[P](CC)(CC)CC)=O)=O)([P](CC)(CC)CC)[P](CC)(CC)CC)cc%18)cc%17)c1ccc(cc1)c1cc[n](cc1)[Pt](OC%12=O)([P](CC)(CC)CC)[P](CC)(CC)CC)cc%14)cc%13)([P](CC)(CC)CC)[P](CC)(CC)CC)=O)c%11)cc%10)c7)=O)([P](CC)(CC)CC)[P](CC)(CC)CC)cc6)([P](CC)(CC)CC)[P](CC)(CC)CC)=O)=O)([P](CC)(CC)CC)[P](CC)(CC)CC
Title of publication	Fusion of two homoleptic truncated tetrahedra into a heteroleptic truncated octahedron.
Authors of publication	Liu, Haifei; Guo, Chenxing; Huang, Yujuan; Zhou, Zilin; Jian, Shijin; Zhang, Zeyuan; Hou, Yali; Mu, Chaoqun; Zhang, Mingming
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	35
Pages of publication	14352 - 14357
a	59.444 ± 0.006 Å
b	59.444 ± 0.006 Å
c	167.23 ± 0.03 Å
α	90°
β	90°
γ	120°
Cell volume	511754 ± 12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.3397
Residual factor for significantly intense reflections	0.157
Weighted residual factors for significantly intense reflections	0.3446
Weighted residual factors for all reflections included in the refinement	0.3856
Goodness-of-fit parameter for all reflections included in the refinement	1.608
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
295045 (current)	2024-10-04	cif/ Adding structures of 1572782, 1572783 via cif-deposit CGI script.	1572783.cif