Crystallography Open Database

Information card for entry 7230049

Preview

Coordinates	7230049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H73 Cu4 N15 O14
Calculated formula	C78 H73 Cu4 N15 O14
Title of publication	Polynuclear ampyrone based 3d coordination clusters
Authors of publication	Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	10
Pages of publication	1411
a	21.9366 ± 0.0003 Å
b	18.2644 ± 0.0003 Å
c	18.6976 ± 0.0003 Å
α	90°
β	103.484 ± 0.0015°
γ	90°
Cell volume	7284.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.032
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.076
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228895 (current)	2019-11-17	cif/ Updating files of 7230048, 7230049, 7230050, 7230051, 7230052, 7230053, 7230054, 7230055, 7230056, 7230057 Original log message: Adding full bibliography for 7230048--7230057.cif.	7230049.cif
205859	2018-01-30	cif/ Adding structures of 7230048, 7230049, 7230050, 7230051, 7230052, 7230053, 7230054, 7230055, 7230056, 7230057 via cif-deposit CGI script.	7230049.cif