Crystallography Open Database

Information card for entry 7128226

Preview

Coordinates	7128226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54.5 H78 Cl4 N2 Zn2
Calculated formula	C44 H66 Cl4 N2 Zn2
Title of publication	Bicyclic (alkyl)(amino)carbene stabilized zinc(0) complex with singlet biradicaloid ground state.
Authors of publication	Rajendran, N. M.; Gautam, Nimisha; Sarkar, Pallavi; Ahmed, Jasimuddin; Das, Arpan; Das, Shubhajit; Pati, Swapan K.; Mandal, Swadhin K.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	43
Pages of publication	5282 - 5285
a	9.6552 ± 0.0007 Å
b	17.3124 ± 0.0013 Å
c	15.8733 ± 0.0013 Å
α	90°
β	99.979 ± 0.007°
γ	90°
Cell volume	2613.2 ± 0.4 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	0.0647
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1288
Weighted residual factors for all reflections included in the refinement	0.1447
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
265858 (current)	2021-06-05	cif/ Updating files of 7128226, 7128227 Original log message: Adding full bibliography for 7128226--7128227.cif.	7128226.cif
264430	2021-04-23	cif/ Adding structures of 7128226, 7128227 via cif-deposit CGI script.	7128226.cif