Crystallography Open Database

Information card for entry 4072108

Preview

Coordinates	4072108.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Diphenyl 1,5,7-triazabicyclo[4.4.0]dec-5-ene phosphine nickel dibromide
Formula	C19.5 H22 Br2 Cl D N3 Ni P
Calculated formula	C19.5 H22 Br2 Cl D N3 Ni P
Title of publication	RigidN-Phosphino Guanidine P,N Ligands and Their Use in Nickel-Catalyzed Ethylene Oligomerization
Authors of publication	Dyer, Philip W.; Fawcett, John; Hanton, Martin J.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	19
Pages of publication	5082
a	24.4597 ± 0.0015 Å
b	13.0822 ± 0.0008 Å
c	17.0457 ± 0.0011 Å
α	90°
β	127.244 ± 0.001°
γ	90°
Cell volume	4342.1 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0396
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1002
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4072108.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072108.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072108.cif
44242	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072108 via cif-deposit CGI script.	4072108.cif