Crystallography Open Database

Information card for entry 1561380

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Coordinates	1561380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H43 Ba3 N4 O25 P3
Calculated formula	C45 H43 Ba3 N4 O25 P3
Title of publication	Alkaline earth-based coordination polymers derived from a cyclotriphosphazene-functionalized hexacarboxylate
Authors of publication	Ling, Yajing; Bai, Dongjie; Feng, Yunlong; He, Yabing
Journal of publication	Journal of Solid State Chemistry
Year of publication	2016
Journal volume	242
Pages of publication	47 - 54
a	21.0818 ± 0.0007 Å
b	9.4766 ± 0.0003 Å
c	33.6467 ± 0.001 Å
α	90°
β	126.573 ± 0.002°
γ	90°
Cell volume	5398.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1303
Residual factor for significantly intense reflections	0.0901
Weighted residual factors for significantly intense reflections	0.2189
Weighted residual factors for all reflections included in the refinement	0.2422
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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