Crystallography Open Database

Information card for entry 4505950

Preview

Coordinates	4505950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H15 Gd O12
Calculated formula	C9 H15 Gd O12
Title of publication	Solvent- and Vapor-Mediated Solid-State Transformations in 1,3,5-Benzenetricarboxylate Metal‒Organic Frameworks
Authors of publication	Davies, Kate; Bourne, Susan A.; Oliver, Clive L.
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	4
Pages of publication	1999
a	11.316 ± 0.0003 Å
b	17.8157 ± 0.0005 Å
c	7.1635 ± 0.0002 Å
α	90°
β	118.972 ± 0.001°
γ	90°
Cell volume	1263.45 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0263
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.0558
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
179595 (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 4/50/59.	4505950.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505950.cif
57415	2012-05-18	cif/ Adding structures of 4505950 via cif-deposit CGI script.	4505950.cif