Crystallography Open Database

Information card for entry 4504741

Preview

Coordinates	4504741.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	3
Formula	C22 H20 Cu N10 O8
Calculated formula	C22 H20 Cu N10 O8
Title of publication	Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups
Authors of publication	Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	2
Pages of publication	555
a	6.722 ± 0.0009 Å
b	26.649 ± 0.004 Å
c	17.515 ± 0.002 Å
α	90°
β	92.445 ± 0.003°
γ	90°
Cell volume	3134.7 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1144
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1625
Weighted residual factors for all reflections included in the refinement	0.1748
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
179582 (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 4/50/47.	4504741.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504741.cif
47503	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504735, 4504736, 4504737, 4504738, 4504739, 4504740, 4504741, 4504742, 4504743, 4504744, 4504745, 4504746 via cif-deposit CGI script.	4504741.cif