Crystallography Open Database

Information card for entry 4311333

Preview

Coordinates	4311333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H45 Cu2 F12 N7 O P2
Calculated formula	C38 H44.5 Cu2 F12 N7 O P2
Title of publication	Dicopper-Dioxygen Complex Supported by Asymmetric Pentapyridine Dinucleating Ligand
Authors of publication	Yoshimitsu Tachi; Kazuki Aita; Shinichi Teramae; Fumito Tani; Yoshinori Naruta; Shunichi Fukuzumi; Shinobu Itoh
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	4558 - 4560
a	34.105 ± 0.005 Å
b	18.131 ± 0.002 Å
c	14.586 ± 0.002 Å
α	90°
β	103.084 ± 0.006°
γ	90°
Cell volume	8785 ± 2 Å³
Cell temperature	161.1 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for significantly intense reflections	0.029
Weighted residual factors for all reflections included in the refinement	0.031
Goodness-of-fit parameter for all reflections included in the refinement	0.971
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4311333.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311333.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311333.cif
2828	2010-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4311333 via cif-deposit CGI script.	4311333.cif