Crystallography Open Database

Information card for entry 7711470

Preview

Coordinates	7711470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C210 H296 N28 O13 P8 Pt4
Calculated formula	C148 H178 N12 O8 P8 Pt4
SMILES	[Pt]1([P](CC)(CC)CC)([P](CC)(CC)CC)OC(=O)c2cc3cc(c4cc(cc(C(=O)O[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)[n]5ccc(cc5)C5=c6nc(C(=c7[n-]c(=C(c8nc(=C(c9ccccc9)c9[n-]c5cc9)cc8)c5ccccc5)cc7)c5cc[n]1cc5)cc6)c4)C(=O)O[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)[n]1ccc(cc1)C1=c4nc(C(=c5[n-]c(=C(c6nc(=C(c7[n-]c1cc7)c1ccccc1)cc6)c1ccccc1)cc5)c1cc[n]([Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)OC3=O)cc1)cc4)c2
Title of publication	cis-Dipyridyl Porphyrin-Based Multicomponent Organoplatinum(II) Bismetallacycles for Photocatalytic Oxidation
Authors of publication	Cheng, Ying; Zhang, Zeyuan; Duan, Xianglong; Zhang, Mingming
Journal of publication	Dalton Transactions
Year of publication	2022
a	31.577 ± 0.004 Å
b	32.06 ± 0.004 Å
c	39.781 ± 0.004 Å
α	90°
β	93.216 ± 0.007°
γ	90°
Cell volume	40209 ± 8 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1491
Residual factor for significantly intense reflections	0.1157
Weighted residual factors for significantly intense reflections	0.3025
Weighted residual factors for all reflections included in the refinement	0.3238
Goodness-of-fit parameter for all reflections included in the refinement	1.188
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
278556 (current)	2022-10-13	cif/ Adding structures of 7711468, 7711469, 7711470 via cif-deposit CGI script.	7711470.cif