Crystallography Open Database

Information card for entry 4503795

Preview

Coordinates	4503795.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H35 Cd2 N6 O15.5
Calculated formula	C24 H35 Cd2 N6 O15.5
Title of publication	A New “Opened-Cube” (H2O)10Cluster and Undulated Water Chain in Porous Metal−Organic Frameworks
Authors of publication	Wang, Li-Yan; Yang, Yuan; Liu, Kui; Li, Bao-Long; Zhang, Yong
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	11
Pages of publication	3902
a	14.5197 ± 0.0014 Å
b	11.0769 ± 0.001 Å
c	21.106 ± 0.002 Å
α	90°
β	107.72 ± 0.002°
γ	90°
Cell volume	3233.5 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0266
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0615
Weighted residual factors for all reflections included in the refinement	0.0624
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4503795.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503795.cif
41769	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503794, 4503795 via cif-deposit CGI script.	4503795.cif