Crystallography Open Database

Information card for entry 4115630

Preview

Coordinates	4115630.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H48 Cl2 N4 O7 Pd
Calculated formula	C49 H48.006 Cl2 N4 O7 Pd
Title of publication	A Conformationally Programmable Ligand
Authors of publication	Yong S. Chong; Mark D. Smith; Ken D. Shimizu
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	7463 - 7464
a	11.2844 ± 0.0009 Å
b	11.4009 ± 0.0009 Å
c	18.2311 ± 0.0014 Å
α	80.542 ± 0.001°
β	73.825 ± 0.002°
γ	82.607 ± 0.002°
Cell volume	2213.5 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1184
Goodness-of-fit parameter for all reflections included in the refinement	0.984
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
178927 (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 4/11/56.	4115630.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115630.cif
69232	2012-12-04	cif/ Adding structures of 4115630 via cif-deposit CGI script.	4115630.cif