Crystallography Open Database

Information card for entry 7241005

Preview

Coordinates	7241005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 Br2 N4 O0.31 Se1.69 Zn
Calculated formula	C22 H26 Br2 N4 O0.31 Se1.69 Zn
Title of publication	Catalytically active coordination polymer with a tiny Zn2Se2 ring bridged by bis-selone
Authors of publication	Maruthupandi, Mannarsamy; Prabusankar, Ganesan
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	48
Pages of publication	28950 - 28957
a	17.2917 ± 0.0005 Å
b	9.421 ± 0.0004 Å
c	16.2331 ± 0.0005 Å
α	90°
β	93.499 ± 0.003°
γ	90°
Cell volume	2639.53 ± 0.16 Å³
Cell temperature	120.01 ± 0.1 K
Ambient diffraction temperature	120.01 ± 0.1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0411
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.0647
Goodness-of-fit parameter for all reflections included in the refinement	1.145
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
258080 (current)	2020-10-06	cif/ Updating files of 7241004, 7241005 Original log message: Adding full bibliography for 7241004--7241005.cif.	7241005.cif
254833	2020-08-05	cif/ Adding structures of 7241004, 7241005 via cif-deposit CGI script.	7241005.cif