Crystallography Open Database

Information card for entry 4305041

Preview

Coordinates	4305041.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 Br Cu N O3
Calculated formula	C17 Br Cu N O3
Title of publication	Synthesis, Structure and Application of Chiral Copper(II) Coordination Polymers for Asymmetric Acylation
Authors of publication	Suribabu Jammi; Laxmidhar Rout; Prasenjit Saha; Vijay K. Akkilagunta; Sridhar Sanyasi; Tharmalingam Punniyamurthy
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	5093 - 5098
a	11.6599 ± 0.0008 Å
b	7.2927 ± 0.0006 Å
c	12.0335 ± 0.0009 Å
α	90°
β	113.928 ± 0.004°
γ	90°
Cell volume	935.29 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1455
Residual factor for significantly intense reflections	0.133
Weighted residual factors for significantly intense reflections	0.3769
Weighted residual factors for all reflections included in the refinement	0.3824
Goodness-of-fit parameter for all reflections included in the refinement	1.603
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
179088 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/50.	4305041.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305041.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305041.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4305041.cif