Crystallography Open Database

Information card for entry 7247894

Preview

Coordinates	7247894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H30 Cl2 N8 O11 Zn
Calculated formula	C26 H26 Cl2 N8 O10 Zn
Title of publication	Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers
Authors of publication	Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	4
Pages of publication	504 - 516
a	9.8837 ± 0.0005 Å
b	12.5723 ± 0.0006 Å
c	13.0446 ± 0.0007 Å
α	85.637 ± 0.002°
β	84.688 ± 0.002°
γ	88.395 ± 0.002°
Cell volume	1608.94 ± 0.14 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0491
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
289442 (current)	2024-02-04	cif/ Updating files of 7247889, 7247890, 7247891, 7247892, 7247893, 7247894, 7247895, 7247896, 7247897, 7247898 Original log message: Adding full bibliography for 7247889--7247898.cif.	7247894.cif
288490	2023-12-22	cif/ Adding structures of 7247889, 7247890, 7247891, 7247892, 7247893, 7247894, 7247895, 7247896, 7247897, 7247898 via cif-deposit CGI script.	7247894.cif