Crystallography Open Database

Information card for entry 4341422

Preview

Coordinates	4341422.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	D-453
Formula	C35 H35 Cu4 N2.5 O22.5
Calculated formula	C35 H20 Cu4 N2 O21
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	12.5085 ± 0.0001 Å
b	12.5085 ± 0.0001 Å
c	70.2284 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	10988.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0924
Residual factor for significantly intense reflections	0.0874
Weighted residual factors for significantly intense reflections	0.2544
Weighted residual factors for all reflections included in the refinement	0.262
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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.	4341422.cif
126146	2014-11-01	cif/ Adding structures of 4341419, 4341420, 4341421, 4341422 via cif-deposit CGI script.	4341422.cif