Crystallography Open Database

Information card for entry 4513236

Preview

Coordinates	4513236.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1 (first modification) in manuscript
Formula	C56 H32 N4 Si
Calculated formula	C56 H32 N4 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	26.518 ± 0.007 Å
b	26.518 ± 0.007 Å
c	6.3122 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	4439 ± 2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1001
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.1859
Weighted residual factors for all reflections included in the refinement	0.1982
Goodness-of-fit parameter for all reflections included in the refinement	1.222
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.	4513236.cif
139406	2015-06-20	cif/ Adding structures of 4513232, 4513233, 4513234, 4513235, 4513236, 4513237, 4513238, 4513239 via cif-deposit CGI script.	4513236.cif