Crystallography Open Database

Information card for entry 4318255

Preview

Coordinates	4318255.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H62 Ca N2 P2 Si4
Calculated formula	C32 H62 Ca N2 P2 Si4
SMILES	[Ca]12(P(C([Si](C)(C)C)[Si](C)(C)C)c3ccccc3C[N]1(C)C)P(C([Si](C)(C)C)[Si](C)(C)C)c1ccccc1C[N]2(C)C
Title of publication	A Homologous Series of Alkaline Earth Phosphanides: Syntheses, Crystal Structures, and Unusual Dynamic Behavior of (THF)nM[P{CH(SiMe3)2}(C6H4-2-CH2NMe2)]2 (M = Mg, Ca, Sr, Ba)
Authors of publication	Stuart Blair; Keith Izod; William Clegg
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	3886 - 3893
a	9.555 ± 0.0004 Å
b	17.456 ± 0.0007 Å
c	24.5782 ± 0.001 Å
α	90°
β	91.673 ± 0.002°
γ	90°
Cell volume	4097.7 ± 0.3 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 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	0.0526
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.1012
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
179262 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/82.	4318255.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318255.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318255.cif
14637	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 4318255 via cif-deposit CGI script.	4318255.cif