Crystallography Open Database

Information card for entry 4307656

Preview

Coordinates	4307656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H26 Cl4 N4 O6 P4
Calculated formula	C36.9758 H25.9516 Cl3.9516 N4 O6 P4
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	11.9325 ± 0.0002 Å
b	12.3467 ± 0.0002 Å
c	15.4345 ± 0.0003 Å
α	69.354 ± 0.001°
β	67.676 ± 0.001°
γ	68.037 ± 0.001°
Cell volume	1891.18 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0505
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.0936
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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