Crystallography Open Database

Information card for entry 4337013

Preview

Coordinates	4337013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H96 Ga4 N4 Pd4
Calculated formula	C60.8 H113.04 Ga4 N4 Pd4
Title of publication	Clusters [Ma(GaCp*)b(CNR)c] (M = Ni, Pd, Pt): Synthesis, Structure, and Ga/Zn Exchange Reactions
Authors of publication	Mariusz Molon; Katharina Dilchert; Christian Gemel; Rüdiger W. Seidel; Julian Schaumann; Roland A. Fischer
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	14275 - 14283
a	17.391 ± 0.0003 Å
b	17.391 ± 0.0003 Å
c	17.391 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5259.85 ± 0.16 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	5
Space group number	217
Hermann-Mauguin space group symbol	I -4 3 m
Hall space group symbol	I -4 2 3
Residual factor for all reflections	0.0514
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1233
Goodness-of-fit parameter for all reflections included in the refinement	1.169
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
179473 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/70.	4337013.cif
103079	2014-02-25	cif/ Adding structures of 4337013 via cif-deposit CGI script.	4337013.cif