Crystallography Open Database

Information card for entry 4509907

Preview

Coordinates	4509907.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 Cu N2 O8
Calculated formula	C14 H8 Cu N2 O8
Title of publication	Two-Dimensional Homometallic- to a Three Dimensional Heterometallic Coordination Polymer: A Metalloligand Approach
Authors of publication	Mohapatra, Chandrajeet; Chandrasekhar, Vadapalli
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	2
Pages of publication	406
a	12.46 ± 0.005 Å
b	9.968 ± 0.005 Å
c	14.021 ± 0.005 Å
α	90 ± 0.005°
β	114.069 ± 0.005°
γ	90 ± 0.005°
Cell volume	1590 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0853
Residual factor for significantly intense reflections	0.0722
Weighted residual factors for significantly intense reflections	0.232
Weighted residual factors for all reflections included in the refinement	0.2445
Goodness-of-fit parameter for all reflections included in the refinement	1.151
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179635 (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 4/50/99.	4509907.cif
104121	2014-03-10	cif/ Adding structures of 4509907, 4509908 via cif-deposit CGI script.	4509907.cif