Crystallography Open Database

Information card for entry 4071697

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Coordinates	4071697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H48 B9 N4 O P Ti
Calculated formula	C27 H48 B9 N4 O P Ti
Title of publication	Synthesis and Structural Characterization of Group 4 Metal Complexes Bearing Pentavalent Phosphorus-Bridged Ligands [(C13H8)(iPr2N)P(−O)(C2B10H10)]2−and [(C13H9)(iPr2N)P(O)(C2B9H10)]2−
Authors of publication	Wang, Hong; Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	15
Pages of publication	3964
a	10.1719 ± 0.0006 Å
b	10.4903 ± 0.0006 Å
c	18.1888 ± 0.001 Å
α	104.137 ± 0.001°
β	91.393 ± 0.001°
γ	111.625 ± 0.001°
Cell volume	1735.48 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0944
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.1607
Weighted residual factors for all reflections included in the refinement	0.1784
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
178605 (current)	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 4/07/16.	4071697.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071697.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071697.cif
43986	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071693, 4071694, 4071695, 4071696, 4071697, 4071698 via cif-deposit CGI script.	4071697.cif