Crystallography Open Database

Information card for entry 7003397

Preview

Coordinates	7003397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H88 Ga2 N6 Pd
Calculated formula	C58 H88 Ga2 N6 Pd
SMILES	C1=CN(c2c(cccc2C(C)C)C(C)C)[Ga](N1c1c(cccc1C(C)C)C(C)C)[Pd]1([N](C)(C)CC[N]1(C)C)[Ga]1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Synthesis and structural characterisation of group 10 metal(ii) gallyl complexes: analogies with platinum diboration catalysts?
Authors of publication	Jones, Cameron; Mills, David P.; Rose, Richard P.; Stasch, Andreas
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	33
Pages of publication	4395 - 4408
a	22.248 ± 0.004 Å
b	13.012 ± 0.003 Å
c	20.412 ± 0.004 Å
α	90°
β	107.17 ± 0.03°
γ	90°
Cell volume	5646 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.121
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.0872
Weighted residual factors for all reflections included in the refinement	0.1015
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179737 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/33.	7003397.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003397.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003397.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003397.cif