Crystallography Open Database

Information card for entry 7705325

Preview

Coordinates	7705325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H76 Cl8 Mn N10 O16
Calculated formula	C74 H76 Cl8 Mn N10 O16
Title of publication	Tuneable solvent adsorption and exchange by 1D bispidine-based Mn(II) coordination polymers <i>via</i> ligand design.
Authors of publication	Lippi, Martina; Caputo, Josefina; Meneghetti, Fiorella; Castellano, Carlo; Martí-Rujas, Javier; Cametti, Massimo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	38
Pages of publication	13420 - 13429
a	12.5124 ± 0.0001 Å
b	13.0339 ± 0.0001 Å
c	13.9531 ± 0.0001 Å
α	102.785 ± 0.001°
β	111.77 ± 0.001°
γ	102.82 ± 0.001°
Cell volume	1941.32 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0799
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.2092
Weighted residual factors for all reflections included in the refinement	0.2101
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.82656 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258872 (current)	2020-11-06	cif/ Updating files of 7705323, 7705324, 7705325, 7705326, 7705327 Original log message: Adding full bibliography for 7705323--7705327.cif.	7705325.cif
255771	2020-09-01	cif/ Adding structures of 7705323, 7705324, 7705325, 7705326, 7705327 via cif-deposit CGI script.	7705325.cif