Crystallography Open Database

Information card for entry 7227925

Preview

Coordinates	7227925.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 Mn N2 O8 P2
Calculated formula	C12 H18 Mn N2 O8 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	12.3487 ± 0.0003 Å
b	14.3471 ± 0.0004 Å
c	10.0005 ± 0.0003 Å
α	90°
β	107.578 ± 0.001°
γ	90°
Cell volume	1689.04 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0711
Weighted residual factors for all reflections included in the refinement	0.0754
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
194471 (current)	2017-03-24	cif/ Adding structures of 7227924, 7227925, 7227926, 7227927 via cif-deposit CGI script.	7227925.cif