Crystallography Open Database

Information card for entry 7230281

Preview

Coordinates	7230281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H44 Co2 Mo2 N8 O27
Calculated formula	C16 H36 Co2 Mo2 N8 O27
Title of publication	Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations
Authors of publication	Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	13
Pages of publication	1889
a	12.8719 ± 0.001 Å
b	10.4734 ± 0.0007 Å
c	14.5744 ± 0.001 Å
α	90°
β	112.997 ± 0.008°
γ	90°
Cell volume	1808.7 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
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	0.0662
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	0.984
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229060 (current)	2019-11-17	cif/ Updating files of 7230277, 7230278, 7230279, 7230280, 7230281, 7230282, 7230283, 7230284 Original log message: Adding full bibliography for 7230277--7230284.cif.	7230281.cif
206877	2018-03-10	cif/ Adding structures of 7230277, 7230278, 7230279, 7230280, 7230281, 7230282, 7230283, 7230284 via cif-deposit CGI script.	7230281.cif