Crystallography Open Database

Information card for entry 4337014

Preview

Coordinates	4337014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H80 Ga4 N4 Pd4
Calculated formula	C68 H80 Ga4 N4 Pd4
SMILES	[Pd]1234([Pd]567([Pd]89([Pd]1([Ga]1%10%11%12258[c]2([c]1([c]%12([c]%11([c]%102C)C)C)C)C)([Ga]1258369[c]3([c]2([c]1([c]8([c]53C)C)C)C)C)([Ga]12354[c]4([c]1([c]5([c]3([c]24C)C)C)C)C)C#[N]c1ccccc1)([Ga]12347[c]5([c]3([c]4([c]2([c]15C)C)C)C)C)C#[N]c1ccccc1)C#[N]c1ccccc1)C#[N]c1ccccc1
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	14.5154 ± 0.0004 Å
b	14.7168 ± 0.0004 Å
c	17.0035 ± 0.0003 Å
α	76.2084 ± 0.0019°
β	78.334 ± 0.002°
γ	70.824 ± 0.002°
Cell volume	3301.3 ± 0.15 Å³
Cell temperature	109 ± 2 K
Ambient diffraction temperature	109 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	4337014.cif
103080	2014-02-25	cif/ Adding structures of 4337014 via cif-deposit CGI script.	4337014.cif