Crystallography Open Database

Information card for entry 4070505

Preview

Coordinates	4070505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 B8 N P Pt
Calculated formula	C24 H36 B8 N P Pt
SMILES	[Pt]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)(C#[N]C(C)(C)C)[BH]345[BH]678[BH]9%10%11[CH2]([BH]%127%10[BH]258[H]%12)[BH2]25%11[BH]369[BH]142[H]5
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	23.555 ± 0.0007 Å
b	10.9581 ± 0.0003 Å
c	27.9532 ± 0.0007 Å
α	90°
β	120.204 ± 0.002°
γ	90°
Cell volume	6235.7 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0794
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1403
Weighted residual factors for all reflections included in the refinement	0.1526
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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.	4070505.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070505.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070505.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.	4070505.cif