Crystallography Open Database

Information card for entry 7027424

Preview

Coordinates	7027424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H71 O16.5 P4 S0.5 Ti4
Calculated formula	C61 H71 O16.5 P4 S0.5 Ti4
Title of publication	Syntheses and single-crystal structures of novel soluble phosphonato- and phosphinato-bridged titanium oxo alkoxides
Authors of publication	Guerrero, Gilles; Mehring, Michael; Mutin, P. Hubert; Dahan, Françoise; Vioux, André
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	10
Pages of publication	1537
a	12.4983 ± 0.001 Å
b	16.1317 ± 0.0014 Å
c	33.706 ± 0.003 Å
α	90°
β	97.141 ± 0.01°
γ	90°
Cell volume	6743.1 ± 1 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
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	0.0401
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0568
Weighted residual factors for all reflections included in the refinement	0.0607
Goodness-of-fit parameter for all reflections included in the refinement	0.836
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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