Crystallography Open Database

Information card for entry 4510379

Preview

Coordinates	4510379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 Co N5 O3
Calculated formula	C12 H14 Co N5 O3
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	15.6644 ± 0.0013 Å
b	9.555 ± 0.0008 Å
c	10.0249 ± 0.0008 Å
α	90°
β	100.696 ± 0.002°
γ	90°
Cell volume	1474.4 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0698
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1428
Weighted residual factors for all reflections included in the refinement	0.1676
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
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.	4510379.cif
109071	2014-04-07	cif/ Adding structures of 4510379 via cif-deposit CGI script.	4510379.cif