Crystallography Open Database

Information card for entry 7241004

Preview

Coordinates	7241004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 N4 O Se2
Calculated formula	C22 H26 N4 Se2
SMILES	[Se]=C1N(c2c(N1C(C)C)cccc2)CCN1c2c(N(C(C)C)C1=[Se])cccc2
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	12.244 ± 0.005 Å
b	15.559 ± 0.005 Å
c	13.831 ± 0.005 Å
α	90°
β	113.152 ± 0.005°
γ	90°
Cell volume	2422.7 ± 1.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 ± 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	0.123
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.142
Weighted residual factors for all reflections included in the refinement	0.1898
Goodness-of-fit parameter for all reflections included in the refinement	1.0311
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
258080 (current)	2020-10-06	cif/ Updating files of 7241004, 7241005 Original log message: Adding full bibliography for 7241004--7241005.cif.	7241004.cif
254833	2020-08-05	cif/ Adding structures of 7241004, 7241005 via cif-deposit CGI script.	7241004.cif