Crystallography Open Database

Information card for entry 7114698

Preview

Coordinates	7114698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H192 N4 Ni24 O50 Pt14
Calculated formula	C132 H192 N4 Ni24 O50 Pt14
SMILES	C(#[O])[Pt]12345678[Pt]9%10%11%12%13%14%15%16%17%18[Ni]%19%20%21%221(C#[O])C(=O)[Pt]1%23%24%25%26%27%28%14%20C(=O)[Ni]%14%20%29%30%28(C#[O])[Pt]%28%31%32%33%34%35%36%37%111[Ni]1%11%38%39%40(C#[O])C(=O)[Ni]%41%26%30%37%40(C#[O])[Pt]%26%30%37%40%42%43%15%34%11C(=O)[Ni]%11%15%34%39%40(C#[O])[Ni]%39%40%44%45%30(C#[O])C(=O)[Pt]%30%46%47%48%49%50%51%16%40[Ni]%1629%19(C#[O])(C(=O)[Ni]%17%42%45%50%16(C#[O])[Ni]%18%22%27%41%43(C%26=O)C#[O])[Ni]296%48(C#[O])(C%30=O)[Ni]6%16%17%183(C#[O])C(=O)[Ni]3%19%22%26%18(C#[O])[Pt]%18%27%30%40%414%10%4626[Pt]246%10%42%43%45%46%48%28[Pt]%28%50%52%12%31%37%11%39%47%18[Pt]%11%12%18%331%154(C#[O])[Ni]14%15%31%43(C#[O])C(=O)[Pt]%33%37%393%306%281(C(=O)[Ni]%519%26%41%39(C#[O])[Ni]1%44%49%52%37(C(=O)[Ni]%34%50%124%331C#[O])C#[O])[Ni]13%22%46%15(C(=O)[Pt]469%12%16%19%40%101C(=O)[Ni]1%108%179(C#[O])[Ni]89%15%164(C#[O])C(=O)[Pt]4%17%19%22%14%35%429(C(=O)[Ni]%20%36%38%114(C#[O])[Ni]4%48%18%31%22(C#[O])C(=O)[Ni]%453%12%16%194C#[O])[Pt]35%13%23%32%272618[Ni]17%21%24%10(C#[O])C(=O)[Ni]%25%29%15%1731C#[O])C#[O].[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.C(CC)C[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.C1CCOC1.C1OCCC1.O1CCCC1.C1CCCO1.C1CCCO1.C1CCCO1
Title of publication	New high-nuclearity Ni‒Pt carbonyl clusters: synthesis and X-ray structure of the ordered [Ni24Pt14(CO)44]4‒ and the substitutionally Ni/Pt disordered [Ni10(Ni6‒xPtx)Pt8(CO)30]4‒ (x = 1.92) tetraanions
Authors of publication	Femoni, Cristina; Carmela Iapalucci, M.; Longoni, Giuliano; Svensson, Per H.
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	18
Pages of publication	1776
a	29.4645 ± 0.0008 Å
b	18.5814 ± 0.0005 Å
c	31.6479 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	17327 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1113
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1141
Weighted residual factors for all reflections included in the refinement	0.1246
Goodness-of-fit parameter for all reflections included in the refinement	0.852
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180260 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/46.	7114698.cif
118289	2014-06-29	cif/ Adding structures of 7114698, 7114699 via cif-deposit CGI script.	7114698.cif