Crystallography Open Database

Information card for entry 4316968

Preview

Coordinates	4316968.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H54 Gd2 N20 O21
Calculated formula	C51 H43.98 Gd2 N20 O21.02
Title of publication	Assembly of Robust and Porous Hydrogen-Bonded Coordination Frameworks: Isomorphism, Polymorphism, and Selective Adsorption
Authors of publication	Ji-Jun Jiang; Mei Pan; Jun-Min Liu; Wei Wang; Cheng-Yong Su
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	10166 - 10173
a	18.2412 ± 0.0001 Å
b	18.2412 ± 0.0001 Å
c	18.2412 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	6069.6 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0469
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0784
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
179249 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/69.	4316968.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316968.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316968.cif
10480	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4316968 via cif-deposit CGI script.	4316968.cif