Crystallography Open Database

Information card for entry 4070503

Preview

Coordinates	4070503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H30 B8 N2 Pt
Calculated formula	C11 H30 B8 N2 Pt
SMILES	[BH]1234[BH]567[BH]892[CH2]5[BH2]257[BH]746[BH]461[BH]38([H]9)[Pt]4(C#[N]C(C)(C)C)([BH]276[H]5)C#[N]C(C)(C)C
Title of publication	Synthesis and Reactivity of 10-Vertexarachno-Platinacarboranes
Authors of publication	Carr, Michael J.; McGrath, Thomas D.; Stone, F. Gordon A.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	9
Pages of publication	2099
a	11.6161 ± 0.0008 Å
b	17.703 ± 0.0012 Å
c	9.5129 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1956.2 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0222
Residual factor for significantly intense reflections	0.0204
Weighted residual factors for significantly intense reflections	0.0489
Weighted residual factors for all reflections included in the refinement	0.0498
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
178594 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/05.	4070503.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070503.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070503.cif
41827	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070503, 4070504, 4070505, 4070506, 4070507, 4070508, 4070509, 4070510, 4070511, 4070512 via cif-deposit CGI script.	4070503.cif