Crystallography Open Database

Information card for entry 4336357

Preview

Coordinates	4336357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H30 Cu2 N7 O17
Calculated formula	C43 H30 Cu2 N7 O17
Title of publication	In Situ Generation of Functionality in a Reactive Haloalkane-Based Ligand for the Design of New Porous Coordination Polymers
Authors of publication	Prakash Kanoo; Ryotaro Matsuda; Hiroshi Sato; Liangchun Li; Hyung Joon Jeon; Susumu Kitagawa
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	10735 - 10737
a	14.563 ± 0.003 Å
b	34.392 ± 0.007 Å
c	19.462 ± 0.004 Å
α	90°
β	101.57 ± 0.03°
γ	90°
Cell volume	9549 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1889
Residual factor for significantly intense reflections	0.1247
Weighted residual factors for significantly intense reflections	0.3071
Weighted residual factors for all reflections included in the refinement	0.357
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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
179466 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/63.	4336357.cif
102335	2014-02-19	cif/ Adding structures of 4336357 via cif-deposit CGI script.	4336357.cif