Crystallography Open Database

Information card for entry 7248231

Preview

Coordinates	7248231.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H50 N8 O9 Zn
Calculated formula	C38 H50 N8 O9 Zn
Title of publication	Consequences of twisting of the flexible arms of imidazole-derived urea in zinc-dicarboxylate coordination polymers
Authors of publication	Verma, Satyendra; Brahma, Rinki; Baruah, Jubaraj B.
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	14
Pages of publication	1976 - 1985
a	16.0036 ± 0.001 Å
b	9.549 ± 0.0006 Å
c	27.2906 ± 0.0017 Å
α	90°
β	100.52 ± 0.002°
γ	90°
Cell volume	4100.4 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.1068
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1106
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
290894 (current)	2024-04-05	cif/ Updating files of 7248228, 7248229, 7248230, 7248231 Original log message: Adding full bibliography for 7248228--7248231.cif.	7248231.cif
289969	2024-02-28	cif/ Adding structures of 7248228, 7248229, 7248230, 7248231 via cif-deposit CGI script.	7248231.cif