Crystallography Open Database

Information card for entry 7044774

Preview

Coordinates	7044774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H5 Ca Co N8 S
Calculated formula	C7 Ca Co N8.0004 S
Title of publication	Dielectric transitions and relaxations in Ca(ii)Co(iii)-based cyanometallate frameworks with a rare (6,6)-connected nia topology.
Authors of publication	Liu, Yu-Ling; Zhang, Wen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	47
Journal issue	1
Pages of publication	45 - 48
a	7.5237 ± 0.0011 Å
b	7.5237 ± 0.0011 Å
c	13.576 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	665.5 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.2424
Weighted residual factors for all reflections included in the refinement	0.2425
Goodness-of-fit parameter for all reflections included in the refinement	1.229
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
229377 (current)	2019-11-17	cif/ Updating files of 7044772, 7044773, 7044774, 7044775, 7044776, 7044777 Original log message: Adding full bibliography for 7044772--7044777.cif.	7044774.cif
203209	2017-11-15	cif/ Adding structures of 7044772, 7044773, 7044774, 7044775, 7044776, 7044777 via cif-deposit CGI script.	7044774.cif