Crystallography Open Database

Information card for entry 7022001

7022000 << 7022001 >> 7022002

Preview

Coordinates	7022001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H44 N8 Ni
Calculated formula	C36 H44 N8 Ni
SMILES	CC1C(=[N]([Ni]2([N]=1CCc1ncccc1)[N](=C(C(C)=[N]2CCc1ncccc1)C)CCc1ccccn1)CCc1ncccc1)C
Title of publication	Importance of co-donor field strength in the preparation of tetradentate α-diimine nickel hydrosilylation catalysts.
Authors of publication	Porter, Tyler M.; Hall, Gabriel B.; Groy, Thomas L.; Trovitch, Ryan J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	41
Pages of publication	14689 - 14692
a	9.3548 ± 0.0008 Å
b	20.4687 ± 0.0017 Å
c	17.6111 ± 0.0015 Å
α	90°
β	94.424 ± 0.002°
γ	90°
Cell volume	3362.1 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
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	0.0751
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
179925 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/20.	7022001.cif
88923	2013-10-09	cif/ Adding structures of 7021999, 7022000, 7022001 via cif-deposit CGI script.	7022001.cif