Crystallography Open Database

Information card for entry 4506928

Preview

Coordinates	4506928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H37 Co2 N6 O16
Calculated formula	C51 H37 Co2 N6 O16
Title of publication	Construction of Three-Dimensional Cobalt(II)-Based Metal‒Organic Frameworks by Synergy between Rigid and Semirigid Ligands
Authors of publication	Yang, Weiting; Guo, Min; Yi, Fei-Yan; Sun, Zhong-Ming
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	11
Pages of publication	5529
a	9.0384 ± 0.001 Å
b	16.3407 ± 0.0018 Å
c	18.505 ± 0.002 Å
α	73.394 ± 0.002°
β	76.394 ± 0.002°
γ	86.298 ± 0.002°
Cell volume	2545.6 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1811
Residual factor for significantly intense reflections	0.0998
Weighted residual factors for significantly intense reflections	0.2865
Weighted residual factors for all reflections included in the refinement	0.3313
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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
179605 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/69.	4506928.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506928.cif
71891	2013-01-21	cif/ Adding structures of 4506927, 4506928, 4506929, 4506930 via cif-deposit CGI script.	4506928.cif