Crystallography Open Database

Information card for entry 7227924

Preview

Coordinates	7227924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H14 Cu N2 O7 P2
Calculated formula	C13 H14 Cu N2 O7 P2
Title of publication	Three-component 1D and 2D metal phosphonates: structural variability, topological analysis and catalytic hydrocarboxylation of alkanes
Authors of publication	Demadis, Konstantinos D.; Anagnostou, Zafeiria; Panera, Aggeliki; Mezei, Gellert; Kirillova, Marina V.; Kirillov, Alexander M.
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	29
Pages of publication	17788
a	22.3946 ± 0.0004 Å
b	4.8894 ± 0.0001 Å
c	16.9441 ± 0.0003 Å
α	90°
β	122.616 ± 0.001°
γ	90°
Cell volume	1562.73 ± 0.05 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0251
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.0512
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
194471 (current)	2017-03-24	cif/ Adding structures of 7227924, 7227925, 7227926, 7227927 via cif-deposit CGI script.	7227924.cif