Crystallography Open Database

Information card for entry 4074349

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Structure parameters

Formula	C23 H36 N P Ti
Calculated formula	C23 H36 N P Ti
SMILES	[Ti](N=P(c1c(cccc1)c1ccccc1)(C(C)(C)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	10.1625 ± 0.0018 Å
b	23.486 ± 0.004 Å
c	11.204 ± 0.002 Å
α	90°
β	115.851 ± 0.002°
γ	90°
Cell volume	2406.5 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1467
Weighted residual factors for all reflections included in the refinement	0.1926
Goodness-of-fit parameter for all reflections included in the refinement	0.743
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.	4074349.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.	4074349.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074349.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.	4074349.cif