Crystallography Open Database

Information card for entry 4333711

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Structure parameters

Formula	C30 H68 B4 K2 O P2 Si4
Calculated formula	C30 H68 B4 K2 O P2 Si4
Title of publication	Phosphido-Borane and Phosphido-Bis(Borane) Complexes of the Alkali Metals, a Comparative Study
Authors of publication	Keith Izod; James M. Watson; William Clegg; Ross W. Harrington
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1466 - 1475
a	8.4901 ± 0.0004 Å
b	9.7266 ± 0.0005 Å
c	14.6681 ± 0.0007 Å
α	76.367 ± 0.004°
β	89.297 ± 0.004°
γ	71.341 ± 0.004°
Cell volume	1112.66 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0504
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0779
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	0.923
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4333711.cif
179440	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/37.	4333711.cif
99515	2014-01-31	cif/ Adding structures of 4333711 via cif-deposit CGI script.	4333711.cif