Crystallography Open Database

Information card for entry 7224169

Preview

Coordinates	7224169.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H50 N12 Ni3 O28
Calculated formula	C72 H46 N12 Ni3 O26
Title of publication	Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid
Authors of publication	Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	11
Pages of publication	1944
a	21.687 ± 0.003 Å
b	18.249 ± 0.002 Å
c	22.474 ± 0.004 Å
α	90°
β	118.15 ± 0.002°
γ	90°
Cell volume	7842 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0912
Residual factor for significantly intense reflections	0.0806
Weighted residual factors for significantly intense reflections	0.2122
Weighted residual factors for all reflections included in the refinement	0.2215
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
181606 (current)	2016-04-05	cif/ Updating files of 7224168, 7224169, 7224170, 7224171, 7224172, 7224173 Original log message: Adding full bibliography for 7224168--7224173.cif.	7224169.cif
176305	2016-02-10	cif/ Adding structures of 7224168, 7224169, 7224170, 7224171, 7224172, 7224173 via cif-deposit CGI script.	7224169.cif