Crystallography Open Database

Information card for entry 7132867

Preview

Coordinates	7132867.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.99 H48.98 Ca N3 Si2
Calculated formula	C35.994 H48.982 Ca N3 Si2
Title of publication	Fluorenyl-tethered N-heterocyclic carbene (NHC): an exclusive C-donor ligand for heteroleptic calcium and strontium chemistry.
Authors of publication	Mondal, Sumana; Sarkar, Subham; Mandal, Chhotan; Mallick, Dibyendu; Mukherjee, Debabrata
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	34
Pages of publication	4553 - 4556
a	21.9451 ± 0.0002 Å
b	9.6032 ± 0.0001 Å
c	35.7576 ± 0.0003 Å
α	90°
β	105.893 ± 0.001°
γ	90°
Cell volume	7247.62 ± 0.12 Å³
Cell temperature	100.01 ± 0.11 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0401
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1007
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291553 (current)	2024-05-05	cif/ Updating files of 7132864, 7132865, 7132866, 7132867 Original log message: Adding full bibliography for 7132864--7132867.cif.	7132867.cif
290579	2024-03-22	cif/ Adding structures of 7132864, 7132865, 7132866, 7132867 via cif-deposit CGI script.	7132867.cif