Crystallography Open Database

Information card for entry 7133016

Preview

Coordinates	7133016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H133 Ca N5 Ni2 O12
Calculated formula	C86 H133 Ca N5 Ni2 O12
Title of publication	Appropriation of group II metals: Synthesis and characterisation of the first alkaline earth metal supported transition metal carbonite complexes
Authors of publication	Wolff, Siad; Ponsonby, Annabelle; Dallmann, Andre; Herwig, Christian; Beckmann, Fabian; Cula, Beatrice; Limberg, Christian
Journal of publication	Chemical Communications
Year of publication	2024
a	13.1189 ± 0.0016 Å
b	18.636 ± 0.003 Å
c	19.149 ± 0.002 Å
α	81.507 ± 0.005°
β	86.676 ± 0.005°
γ	74.077 ± 0.005°
Cell volume	4451.9 ± 1 Å³
Cell temperature	104 ± 2 K
Ambient diffraction temperature	104 ± 2 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	0.0605
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0963
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7133016.html