Crystallography Open Database

Information card for entry 4119634

4119633 << 4119634 >> 4119635

Preview

Coordinates	4119634.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C109.59 H64 Cu9 N8 O35.85
Calculated formula	C109.586 H64 Cu9 N8 O35.8532
Title of publication	Stepwise Transformation of the Molecular Building Blocks in a Porphyrin-Encapsulating Metal-Organic Material
Authors of publication	Zhenjie Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	5982 - 5985
a	10.658 ± 0.0007 Å
b	18.4613 ± 0.0012 Å
c	21.092 ± 0.0014 Å
α	89.068 ± 0.002°
β	88.119 ± 0.001°
γ	85.215 ± 0.002°
Cell volume	4133 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0802
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.1769
Weighted residual factors for all reflections included in the refinement	0.185
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.41328 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178967 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/96.	4119634.cif
103809	2014-03-07	cif/ Adding structures of 4119634 via cif-deposit CGI script.	4119634.cif