Crystallography Open Database

Information card for entry 1517121

Preview

Coordinates	1517121.cif

Structure parameters

Formula	C48 H38 Co5 N18 O18 P6
Calculated formula	C48 H38 Co5 N18 O18 P6
Title of publication	Syntheses, structures and magnetic properties of two isostructural metal-phosphonate frameworks
Authors of publication	Fupeng Zhai; Mingli Deng; Yun Ling; Zhenxia Chen; Linhong Weng; Yaming Zhou
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	402
Pages of publication	104 - 108
a	9.4189 ± 0.0007 Å
b	26.248 ± 0.002 Å
c	11.4511 ± 0.0009 Å
α	90°
β	95.618 ± 0.001°
γ	90°
Cell volume	2817.4 ± 0.4 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0367
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517121.cif
120387	2014-07-15	cif/ Adding structures of 1517121 via cif-deposit CGI script.	1517121.cif