Crystallography Open Database

Information card for entry 4513233

Preview

Coordinates	4513233.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1*Cu(NO3)2 in manuscript
Formula	C52 H31 Cu N6 O6 Si
Calculated formula	C52 H31 Cu N4 O2 Si
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	27.104 ± 0.008 Å
b	31.278 ± 0.009 Å
c	34.9 ± 0.01 Å
α	90°
β	92.1 ± 0.006°
γ	90°
Cell volume	29567 ± 15 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	0.2011
Residual factor for significantly intense reflections	0.1333
Weighted residual factors for significantly intense reflections	0.3787
Weighted residual factors for all reflections included in the refinement	0.4249
Goodness-of-fit parameter for all reflections included in the refinement	1.292
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.	4513233.cif
139406	2015-06-20	cif/ Adding structures of 4513232, 4513233, 4513234, 4513235, 4513236, 4513237, 4513238, 4513239 via cif-deposit CGI script.	4513233.cif