Crystallography Open Database

Information card for entry 4341420

Preview

Coordinates	4341420.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1-D
Formula	C40 H51 Cu3 N2 O23
Calculated formula	C40 H44 Cu3 N2 O23
Title of publication	Homochiral Metal‒Organic Frameworks with Enantiopure Proline Units for the Catalytic Synthesis of β-Lactams
Authors of publication	Xu, Zhong-Xuan; Tan, Yan-Xi; Fu, Hong-Ru; Liu, Juan; Zhang, Jian
Journal of publication	Inorganic Chemistry
Year of publication	2014
Pages of publication	141031102220000
a	21.78 ± 0.0003 Å
b	10.8551 ± 0.0001 Å
c	19.4405 ± 0.0003 Å
α	90°
β	92.088 ± 0.001°
γ	90°
Cell volume	4593.15 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0376
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.1136
Weighted residual factors for all reflections included in the refinement	0.1186
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179517 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/14.	4341420.cif
126146	2014-11-01	cif/ Adding structures of 4341419, 4341420, 4341421, 4341422 via cif-deposit CGI script.	4341420.cif