Crystallography Open Database

Information card for entry 4513235

Preview

Coordinates	4513235.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1*Cu(OAc)2 in manuscript
Formula	C120 H88 Cu4 N8 O16 Si2
Calculated formula	C120 H88 Cu4 N8 O16 Si2
Title of publication	Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand
Authors of publication	Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	7
Pages of publication	3539
a	18.695 ± 0.003 Å
b	20.122 ± 0.003 Å
c	21.068 ± 0.004 Å
α	111.924 ± 0.004°
β	92.824 ± 0.005°
γ	94.973 ± 0.005°
Cell volume	7296 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.2041
Residual factor for significantly intense reflections	0.1051
Weighted residual factors for significantly intense reflections	0.2685
Weighted residual factors for all reflections included in the refinement	0.3275
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
140066 (current)	2015-07-05	cif/ Updating files of 4513232, 4513233, 4513234, 4513235, 4513236, 4513237, 4513238, 4513239 Original log message: Adding full bibliography for 4513232--4513239.cif.	4513235.cif
139406	2015-06-20	cif/ Adding structures of 4513232, 4513233, 4513234, 4513235, 4513236, 4513237, 4513238, 4513239 via cif-deposit CGI script.	4513235.cif