Crystallography Open Database

Information card for entry 7048969

Preview

Coordinates	7048969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H9 N5 Ni2 O48 P2 W12
Calculated formula	C54 H9 N5 Ni2 O48 P2 W12
Title of publication	Hexavacant γ-Dawson-type phosphotungstates supporting an edge-sharing bis(square-pyramidal) {O<sub>2</sub>M(μ<sub>3</sub>-O)<sub>2</sub>(μ-OAc)MO<sub>2</sub>} core (M = Mn<sup>2+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>, Cu<sup>2+</sup>, or Zn<sup>2+</sup>).
Authors of publication	Suzuki, Kosuke; Minato, Takuo; Tominaga, Naoto; Okumo, Ichiro; Yonesato, Kentaro; Mizuno, Noritaka; Yamaguchi, Kazuya
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	21
Pages of publication	7281 - 7289
a	19.0988 ± 0.0002 Å
b	28.2884 ± 0.0004 Å
c	24.8669 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	13435 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0622
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1723
Weighted residual factors for all reflections included in the refinement	0.1801
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224441 (current)	2019-11-08	cif/ Updating files of 7048967, 7048968, 7048969, 7048970, 7048971 Original log message: Adding full bibliography for 7048967--7048971.cif.	7048969.cif
213609	2019-02-13	cif/ Adding structures of 7048967, 7048968, 7048969, 7048970, 7048971 via cif-deposit CGI script.	7048969.cif