Crystallography Open Database

Information card for entry 4002846

Preview

Coordinates	4002846.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ni3(HCOO)5Cl(OH2)
Chemical name	Ni3(HCOO)5Cl(OH2)
Formula	C5 H7 Cl Ni3 O11
Calculated formula	C5 H7 Cl Ni3 O11
Title of publication	A Series of Chiral, Polar, Homospin Topological Ferrimagnets: M3(OOCH)5Cl(OH2) (M = Fe, Co, Ni)
Authors of publication	Greenfield, Joshua T.; Unger, Colin D.; Chen, Michael; Izquierdo, Nezhueyotl; Woo, Katherine E.; Garlea, V. Ovidiu; Kamali, Saeed; Kovnir, Kirill
Journal of publication	Chemistry of Materials
Year of publication	2017
Journal volume	29
Journal issue	18
Pages of publication	7716
a	11.9286 ± 0.0005 Å
b	11.9286 ± 0.0005 Å
c	7.3887 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	910.5 ± 0.07 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.0748
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.121
Weighted residual factors for all reflections included in the refinement	0.1283
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201747 (current)	2017-10-05	cif/ Updating files of 4002845, 4002846, 4002847 Original log message: Adding full bibliography for 4002845--4002847.cif.	4002846.cif
200888	2017-09-15	cif/ Adding structures of 4002846 via cif-deposit CGI script.	4002846.cif