Crystallography Open Database

Information card for entry 4123442

Preview

Coordinates	4123442.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H76 O32 Zr6
Calculated formula	C108 O32 Zr6
Title of publication	Bipyridine- and Phenanthroline-Based Metal-Organic Frameworks for Highly Efficient and Tandem Catalytic Organic Transformations via Directed C-H Activation.
Authors of publication	Manna, Kuntal; Zhang, Teng; Greene, Francis X.; Lin, Wenbin
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	7
Pages of publication	2665 - 2673
a	23.239 ± 0.004 Å
b	23.239 ± 0.004 Å
c	32.854 ± 0.013 Å
α	90°
β	90°
γ	90°
Cell volume	17743 ± 8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0975
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.1802
Weighted residual factors for all reflections included in the refinement	0.1904
Goodness-of-fit parameter for all reflections included in the refinement	1.153
Diffraction radiation wavelength	0.41328 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179036 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/34.	4123442.cif
132882	2015-03-04	cif/ Updating files of 4123441, 4123442 Original log message: Adding full bibliography for 4123441--4123442.cif.	4123442.cif
131890	2015-02-17	cif/ Adding structures of 4123442 via cif-deposit CGI script.	4123442.cif