Crystallography Open Database

Information card for entry 7127739

Preview

Coordinates	7127739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H116 N6 Ni2 P8 Si2
Calculated formula	C85 H116 N6 Ni2 P8 Si2
Title of publication	An unusual Ni<sub>2</sub>Si<sub>2</sub>P<sub>8</sub> cluster formed by complexation and thermolysis.
Authors of publication	Ziegler, Christoph G. P.; Taube, Clemens; Kelly, John A.; Hierlmeier, Gabriele; Uttendorfer, Maria; Weigand, Jan J.; Wolf, Robert
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	90
Pages of publication	14071 - 14074
a	23.3638 ± 0.0005 Å
b	16.0951 ± 0.0003 Å
c	27.7549 ± 0.0006 Å
α	90°
β	107.229 ± 0.002°
γ	90°
Cell volume	9968.7 ± 0.4 Å³
Cell temperature	123.01 ± 0.1 K
Ambient diffraction temperature	123.01 ± 0.1 K
Number of distinct elements	6
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	0.0533
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.1215
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
260463 (current)	2021-01-04	cif/ Adding structures of 7127736, 7127737, 7127738, 7127739 via cif-deposit CGI script.	7127739.cif