Crystallography Open Database

Information card for entry 4504575

Preview

Coordinates	4504575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H8 Cu2 O9
Calculated formula	C6 H8 Cu2 O9
Title of publication	Versatile Framework Solids Constructed from Divalent Transition Metals and Citric Acid: Syntheses, Crystal Structures, and Thermal Behaviors
Authors of publication	Zhang, Guoqi; Yang, Guoqiang; Ma, Jin Shi
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	2
Pages of publication	375
a	6.9285 ± 0.001 Å
b	9.7619 ± 0.0014 Å
c	14.537 ± 0.002 Å
α	90°
β	91.377 ± 0.002°
γ	90°
Cell volume	982.9 ± 0.2 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
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	0.0424
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
179580 (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 4/50/45.	4504575.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504575.cif
47424	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504572, 4504573, 4504574, 4504575, 4504576 via cif-deposit CGI script.	4504575.cif