Crystallography Open Database

Information card for entry 1550370

Preview

Coordinates	1550370.cif
Original IUCr paper	HTML

Structure parameters

Formula	C4 H9 Co N O6
Calculated formula	C4 H9 Co N O6
Title of publication	Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound
Authors of publication	Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan
Journal of publication	IUCrJ
Year of publication	2019
Journal volume	6
Journal issue	1
Pages of publication	105 - 115
a	8.2674 ± 0.0002 Å
b	11.66 ± 0.0004 Å
c	8.1483 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	785.48 ± 0.04 Å³
Cell temperature	122 K
Ambient diffraction temperature	122 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1189
Residual factor for significantly intense reflections	0.088
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for significantly intense reflections	6.6
Goodness-of-fit parameter for all reflections included in the refinement	4.66
Diffraction radiation probe	neutron
Diffraction radiation wavelength	1.4569 Å
Diffraction radiation type	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
213468 (current)	2019-02-03	cif/ Updating files of 1550370, 1550371, 1550372, 1550373 Original log message: Adding full bibliography for 1550370--1550373.cif.	1550370.cif
212658	2018-12-19	cif/ Adding structures of 1550370, 1550371, 1550372, 1550373 via cif-deposit CGI script.	1550370.cif