Crystallography Open Database

Information card for entry 4307657

Preview

Coordinates	4307657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H50 Cl8 N8 O12 P8
Calculated formula	C74 H50 Cl8 N8 O12 P8
Title of publication	Conformational Flexibility in 2,2'-Dioxybiphenyl-chloro-cyclotetraphosphazenes and its Relevance to Polyphosphazene Analogues
Authors of publication	Eric W. Ainscough; Andrew M. Brodie; Adrian B. Chaplin; Andreas Derwahl; John A. Harrison; Carl A. Otter
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	2575 - 2583
a	12.343 ± 0.0001 Å
b	15.4971 ± 0.0001 Å
c	20.7351 ± 0.0003 Å
α	105.069 ± 0.001°
β	97.033 ± 0.001°
γ	93.288 ± 0.001°
Cell volume	3784.53 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0835
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.1328
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
179114 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/76.	4307657.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307657.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307657.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307657.cif