Crystallography Open Database

Information card for entry 1565357

Preview

Coordinates	1565357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 Cl F3 Ge N2 O5 S
Calculated formula	C15 H16 Cl F3 Ge N2 O5 S
SMILES	[Ge]1(Cl)[N](=C(c2occc2)C)CC[N]1=C(c1occc1)C.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Versatile binding modes of acyclic N2X2 (X = O, S and P) ligands towards [GeCl]+ and AuCl units
Authors of publication	Maurya, Devesh; Karmakar, Joy; Sahoo, Padmini; Raut, Ravindra K.; Majumdar, Moumita
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	503
Pages of publication	119380
a	7.5503 ± 0.0006 Å
b	14.6538 ± 0.0012 Å
c	17.5447 ± 0.0014 Å
α	90°
β	90.498 ± 0.004°
γ	90°
Cell volume	1941.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0682
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.149
Weighted residual factors for all reflections included in the refinement	0.1579
Goodness-of-fit parameter for all reflections included in the refinement	1.136
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270828 (current)	2021-11-23	cif/ Adding structures of 1565357 via cif-deposit CGI script.	1565357.cif