Crystallography Open Database

Information card for entry 7224285

Preview

Coordinates	7224285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H25 Cu N5 O6
Calculated formula	C29 H25 Cu N5 O6
Title of publication	Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation
Authors of publication	Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	23
Pages of publication	4323
a	14.268 ± 0.005 Å
b	12.993 ± 0.005 Å
c	16.902 ± 0.005 Å
α	90°
β	107.945 ± 0.005°
γ	90°
Cell volume	2980.9 ± 1.8 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1009
Residual factor for significantly intense reflections	0.0781
Weighted residual factors for significantly intense reflections	0.1844
Weighted residual factors for all reflections included in the refinement	0.2284
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185287 (current)	2016-08-07	cif/ Updating files of 7224279, 7224280, 7224281, 7224282, 7224283, 7224284, 7224285 Original log message: Adding full bibliography for 7224279--7224285.cif.	7224285.cif
176707	2016-02-18	cif/ Adding structures of 7224279, 7224280, 7224281, 7224282, 7224283, 7224284, 7224285 via cif-deposit CGI script.	7224285.cif