Crystallography Open Database

Information card for entry 4513234

Preview

Coordinates	4513234.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1*Zn(OAc)2 in manuscript
Formula	C60 H44 N4 O8 Si Zn2
Calculated formula	C60 H44 N4 O12 Si Zn2
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	33.224 ± 0.003 Å
b	21.0248 ± 0.0017 Å
c	8.4989 ± 0.0007 Å
α	90°
β	102.143 ± 0.002°
γ	90°
Cell volume	5803.9 ± 0.9 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1325
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1497
Weighted residual factors for all reflections included in the refinement	0.1798
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4513234.cif
139406	2015-06-20	cif/ Adding structures of 4513232, 4513233, 4513234, 4513235, 4513236, 4513237, 4513238, 4513239 via cif-deposit CGI script.	4513234.cif