Crystallography Open Database

Information card for entry 7700592

Preview

Coordinates	7700592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H98 Cu4 F6 O P10
Calculated formula	C100 H99.125 Cu4 F6 O P10
Title of publication	Tetra-, hexa- and octanuclear copper hydride complexes supported by tridentate phosphine ligands.
Authors of publication	Nakajima, Takayuki; Nakamae, Kanako; Hatano, Rika; Imai, Kaho; Harada, Masafumi; Ura, Yasuyuki; Tanase, Tomoaki
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	32
Pages of publication	12050 - 12059
a	13.253 ± 0.004 Å
b	18.473 ± 0.005 Å
c	19.975 ± 0.005 Å
α	88.374 ± 0.009°
β	84.608 ± 0.008°
γ	88.776 ± 0.011°
Cell volume	4866 ± 2 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 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	0.0874
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.2019
Weighted residual factors for all reflections included in the refinement	0.2273
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223919 (current)	2019-11-07	cif/ Updating files of 7700591, 7700592, 7700593, 7700594 Original log message: Adding full bibliography for 7700591--7700594.cif.	7700592.cif
217181	2019-07-20	cif/ Adding structures of 7700591, 7700592, 7700593, 7700594 via cif-deposit CGI script.	7700592.cif