Crystallography Open Database

Information card for entry 7704510

Preview

Coordinates	7704510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H88 Cl4 N6 Na2 O18 P12 Ti
Calculated formula	C62 H88 Cl4 N6 Na2 O18 P12 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	12.9086 ± 0.0007 Å
b	24.9553 ± 0.0013 Å
c	13.7959 ± 0.0007 Å
α	90°
β	108.117 ± 0.001°
γ	90°
Cell volume	4223.9 ± 0.4 Å³
Cell temperature	99 ± 2 K
Ambient diffraction temperature	99.55 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0642
Weighted residual factors for all reflections included in the refinement	0.071
Goodness-of-fit parameter for all reflections included in the refinement	0.906
Diffraction radiation probe	x-ray
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
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.	7704510.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.	7704510.cif