Crystallography Open Database

Information card for entry 7717066

Preview

Coordinates	7717066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H36 Mo6 Ni O25 S6
Calculated formula	C12 H36 Mo6 Ni O25 S6
Title of publication	Polyoxometalate-supported transition metal complexes for the oxidative cross-coupling of amines and alcohols.
Authors of publication	Pardiwala, Ankita; Desai, Meghal A.; Jangir, Ritambhara
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	42
Pages of publication	17207 - 17220
a	8.6498 ± 0.0001 Å
b	9.2159 ± 0.0003 Å
c	12.214 ± 0.0004 Å
α	94.803 ± 0.002°
β	93.302 ± 0.002°
γ	91.519 ± 0.002°
Cell volume	968.14 ± 0.05 Å³
Cell temperature	299.1 K
Ambient diffraction temperature	299.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.0708
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
296535 (current)	2024-12-06	cif/ Updating files of 7717064, 7717065, 7717066 Original log message: Adding full bibliography for 7717064--7717066.cif.	7717066.cif
294836	2024-09-21	cif/ Adding structures of 7717064, 7717065, 7717066 via cif-deposit CGI script.	7717066.cif