Crystallography Open Database

Information card for entry 7215542

Preview

Coordinates	7215542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H7 Cu O6 P
Calculated formula	C7 H7 Cu O6 P
Title of publication	m-phosphonobenzoic acid and copper(II) as precursors of helical chain and lamellar hybrid materials
Authors of publication	Rueff, Jean-Michel; Caignaert, Vincent; Leclaire, André; Simon, Charles; Haelters, Jean-Pierre; Jaffrès, Paul-Alain
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	4
Pages of publication	556 - 559
a	4.8414 ± 0.0003 Å
b	32.557 ± 0.003 Å
c	5.7845 ± 0.0009 Å
α	90°
β	96.016 ± 0.007°
γ	90°
Cell volume	906.74 ± 0.17 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0295
Weighted residual factors for all reflections included in the refinement	0.0308
Goodness-of-fit parameter for significantly intense reflections	1.81
Goodness-of-fit parameter for all reflections included in the refinement	1.64
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Duplicate of	7200472
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
218465 (current)	2019-09-18	cif/7/21/55/ Marked entries 7215542-7215543 as duplicates of entries 7200472-7200473.	7215542.cif
218464	2019-09-18	cif/7/21/55/ Updated bibliographic information in entries 7215542-7215543.	7215542.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7215542.cif
112516	2014-05-02	cif/ Adding structures of 7215542, 7215543 via cif-deposit CGI script.	7215542.cif