Crystallography Open Database

Information card for entry 1529351

Preview

Coordinates	1529351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H48 K0.28 N16 Ni2 O4 Rb7.72 Si18
Calculated formula	C4 H48 K0.274 N16 Ni2 O4 Rb7.725 Si18
Title of publication	The First Chelate-Free Crystal Structure of a Silicide Transition Metal Complex [K0.28Rb7.72Si9Ni(CO)2]2·16NH3
Authors of publication	Gärtner, Stefanie; Hamberger, Markus; Korber, Nikolaus
Journal of publication	Crystals
Year of publication	2015
Journal volume	5
Journal issue	3
Pages of publication	275
a	30.669 ± 0.006 Å
b	9.919 ± 0.002 Å
c	19.894 ± 0.004 Å
α	90°
β	110.18 ± 0.03°
γ	90°
Cell volume	5680 ± 2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0568
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0667
Weighted residual factors for all reflections included in the refinement	0.0711
Goodness-of-fit parameter for all reflections included in the refinement	0.954
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
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	1529351.cif
152921	2015-08-05	cif/ Adding structures of 1529351 via cif-deposit CGI script.	1529351.cif