Crystallography Open Database

Information card for entry 4114229

Preview

Coordinates	4114229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H74 Ce N12
Calculated formula	C87 H74 Ce N12
Title of publication	Tuning the Valence of the Cerium Center in (Na)phthalocyaninato and Porphyrinato Cerium Double-Deckers by Changing the Nature of the Tetrapyrrole Ligands
Authors of publication	Yongzhong Bian; Jianzhuang Jiang; Ye Tao; Michael T. M. Choi; Renjie Li; Anthony C. H. Ng; Peihua Zhu; Na Pan; Xuan Sun; Dennis P. Arnold; Zhong-Yuan Zhou; Hung-Wing Li; Thomas C. W. Mak; Dennis K. P. Ng
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	12257 - 12267
a	29.048 ± 0.007 Å
b	10.888 ± 0.002 Å
c	26.642 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	8426 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n a m
Hall space group symbol	-P 2c 2n
Residual factor for all reflections	0.1443
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.2022
Weighted residual factors for all reflections included in the refinement	0.2634
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
178913 (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 4/11/42.	4114229.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114229.cif
67514	2012-09-27	cif/ Adding structures of 4114229 via cif-deposit CGI script.	4114229.cif