Crystallography Open Database

Information card for entry 7707510

Preview

Coordinates	7707510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H54 N4 Si2
Calculated formula	C42 H54 N4 Si2
Title of publication	[2 ×2] metallo-supramolecular grids based on 4,6-bis((1<i>H</i>-1,2,3-triazol-4-yl)-pyridin-2-yl)-2-phenylpyrimidine ligands: from discrete [2 ×2] grid structures to star-shaped supramolecular polymeric architectures.
Authors of publication	Xu, Xiaowen; Seiffert, Anne K.; Lenaerts, Ruben; Ryskulova, Kanykei; Jana, Somdeb; Van Hecke, Kristof; Jerca, Valentin Victor; Hoogenboom, Richard
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	25
Pages of publication	8746 - 8751
a	17.6814 ± 0.0002 Å
b	18.1633 ± 0.0002 Å
c	12.39478 ± 0.00016 Å
α	90°
β	95.6934 ± 0.0012°
γ	90°
Cell volume	3960.98 ± 0.08 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
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	0.0605
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1551
Weighted residual factors for all reflections included in the refinement	0.1624
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
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
267170 (current)	2021-07-05	cif/ Updating files of 7707510 Original log message: Adding full bibliography for 7707510.cif.	7707510.cif
265525	2021-05-27	cif/ Adding structures of 7707510 via cif-deposit CGI script.	7707510.cif