Crystallography Open Database

Information card for entry 7704507

Preview

Coordinates	7704507.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H25 Mo N3 O7 P6 Ti
Calculated formula	C30 H25 Mo N3 O7 P6 Ti
Title of publication	1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.
Authors of publication	Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	24
Pages of publication	8201 - 8208
a	11.0367 ± 0.0003 Å
b	19.6039 ± 0.0007 Å
c	15.6787 ± 0.0006 Å
α	90°
β	93.44 ± 0.003°
γ	90°
Cell volume	3386.2 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
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	0.1032
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	0.976
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
253867 (current)	2020-07-06	cif/ Updating files of 7704506, 7704507, 7704508, 7704509, 7704510, 7704511, 7704512, 7704513, 7704514, 7704515, 7704516, 7704517 Original log message: Adding full bibliography for 7704506--7704517.cif.	7704507.cif
252421	2020-05-28	cif/ Adding structures of 7704506, 7704507, 7704508, 7704509, 7704510, 7704511, 7704512, 7704513, 7704514, 7704515, 7704516, 7704517 via cif-deposit CGI script.	7704507.cif