Crystallography Open Database

Information card for entry 7238436

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Coordinates	7238436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H104 N4 O6 Ti
Calculated formula	C79 H104 N4 O6 Ti
Title of publication	Alkoxides of group 4 metals containing the bis(imino)phenoxide ligand: synthesis, structural characterization and polymerization studies
Authors of publication	Kumar Saha, Tanmoy; Rajashekhar, Bijja; Chakraborty, Debashis
Journal of publication	RSC Adv.
Year of publication	2012
Journal volume	2
Journal issue	1
Pages of publication	307
a	12.0283 ± 0.0003 Å
b	28.2315 ± 0.0009 Å
c	21.64 ± 0.0008 Å
α	90°
β	98.251 ± 0.001°
γ	90°
Cell volume	7272.4 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1316
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1471
Weighted residual factors for all reflections included in the refinement	0.1847
Goodness-of-fit parameter for all reflections included in the refinement	0.968
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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