Crystallography Open Database

Information card for entry 4512407

Preview

Coordinates	4512407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H30 Co2 N2 O8
Calculated formula	C46 H30 Co2 N2 O8
Title of publication	Synthesis of cobalt-, nickel-, copper-, and zinc-based, water-stable, pillared metal-organic frameworks.
Authors of publication	Jasuja, Himanshu; Jiao, Yang; Burtch, Nicholas C.; Huang, You-gui; Walton, Krista S.
Journal of publication	Langmuir : the ACS journal of surfaces and colloids
Year of publication	2014
Journal volume	30
Journal issue	47
Pages of publication	14300 - 14307
a	11.632 ± 0.002 Å
b	27.86 ± 0.006 Å
c	31.017 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	10052 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0914
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.1517
Weighted residual factors for all reflections included in the refinement	0.1625
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
179671 (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 4/51/24.	4512407.cif
131414	2015-02-07	cif/ Updating files of 4512407 Original log message: Adding full bibliography for 4512407.cif.	4512407.cif
127731	2014-11-21	cif/ Adding structures of 4512407 via cif-deposit CGI script.	4512407.cif