Crystallography Open Database

Information card for entry 4510380

Preview

Coordinates	4510380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H7 Co N4 O2
Calculated formula	C9 H7 Co N4 O2
Title of publication	Distinct Temperature-Dependent CO2Sorption of Two Isomeric Metal‒Organic Frameworks
Authors of publication	Liu, Bo; Shi, Jingtao; Yue, Ke-Fen; Li, Dong-Sheng; Wang, Yao-Yu
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	4
Pages of publication	2003
a	10.018 ± 0.009 Å
b	35.527 ± 0.003 Å
c	9.37 ± 0.08 Å
α	90°
β	90°
γ	90°
Cell volume	3335 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.169
Residual factor for significantly intense reflections	0.0928
Weighted residual factors for significantly intense reflections	0.2237
Weighted residual factors for all reflections included in the refinement	0.2414
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179650 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/03.	4510380.cif
109072	2014-04-07	cif/ Adding structures of 4510380 via cif-deposit CGI script.	4510380.cif