Crystallography Open Database

Information card for entry 7217602

Preview

Coordinates	7217602.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 N4 Ni O8 P2
Calculated formula	C28 H30 N4 Ni O8 P2
Title of publication	Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties
Authors of publication	Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	38
Pages of publication	9104
a	23.7747 ± 0.0014 Å
b	23.7747 ± 0.0014 Å
c	28.216 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	13812 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.1272
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1512
Weighted residual factors for all reflections included in the refinement	0.1891
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
180507 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/76.	7217602.cif
124677	2014-10-06	cif/ Updating files of 7217600, 7217601, 7217602, 7217603, 7217604, 7217605, 7217606, 7217607, 7217608 Original log message: Adding full bibliography for 7217600--7217608.cif.	7217602.cif
121499	2014-08-07	cif/ Adding structures of 7217600, 7217601, 7217602, 7217603, 7217604, 7217605, 7217606, 7217607, 7217608 via cif-deposit CGI script.	7217602.cif