Crystallography Open Database

Information card for entry 4074347

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Structure parameters

Formula	C20 H28 N P
Calculated formula	C20 H28 N P
SMILES	P(=N)(c1c(cccc1)c1ccccc1)(C(C)(C)C)C(C)(C)C
Title of publication	Di-tert-butylbiphenylphosphinimide Titanium and Zirconium Complexes: Pendant Arene−Metal Interactions
Authors of publication	Ghesner, Ioan; Fenwick, Andrew; Stephan, Douglas W.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	21
Pages of publication	4985
a	7.5461 ± 0.0008 Å
b	18.4617 ± 0.0019 Å
c	13.6904 ± 0.0014 Å
α	90°
β	100.049 ± 0.001°
γ	90°
Cell volume	1878 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4074347.cif
178632	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/43.	4074347.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074347.cif
48327	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074347, 4074348, 4074349, 4074350, 4074351, 4074352, 4074353 via cif-deposit CGI script.	4074347.cif