Crystallography Open Database

Information card for entry 7247898

Preview

Coordinates	7247898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H24.5 Cl3.5 Mn N8 O10.5
Calculated formula	C24 H22 Cl2 Mn N8 O10
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	9.7671 ± 0.0008 Å
b	12.2209 ± 0.001 Å
c	13.5331 ± 0.0012 Å
α	87.818 ± 0.005°
β	81.123 ± 0.005°
γ	83.122 ± 0.004°
Cell volume	1584.2 ± 0.2 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	0.0575
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1239
Weighted residual factors for all reflections included in the refinement	0.1273
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	7247898.cif
288490	2023-12-22	cif/ Adding structures of 7247889, 7247890, 7247891, 7247892, 7247893, 7247894, 7247895, 7247896, 7247897, 7247898 via cif-deposit CGI script.	7247898.cif