Crystallography Open Database

Information card for entry 7227926

Preview

Coordinates	7227926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 N2 O6 P2 Zn
Calculated formula	C12 H14 N2 O6 P2 Zn
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	5.5335 ± 0.0002 Å
b	10.6895 ± 0.0003 Å
c	12.6347 ± 0.0004 Å
α	95.967 ± 0.002°
β	90.237 ± 0.002°
γ	103.332 ± 0.002°
Cell volume	722.96 ± 0.04 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0347
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0587
Weighted residual factors for all reflections included in the refinement	0.0621
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	7227926.cif