Crystallography Open Database

Information card for entry 7032868

Preview

Coordinates	7032868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H52 Cu F6 N2 O2 P3
Calculated formula	C67 H52 Cu F6 N2 O2 P3
SMILES	[Cu]12([P](C[C@@H]3OC(C)(C)O[C@H]3C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1c(C)cc(c3ccc4c(c5ccccc5)cc([n]2c4c13)C)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].C1CCCC1.C1CCCC1
Title of publication	Highly emissive copper(I) complexes bearing diimine and bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane.
Authors of publication	Nishikawa, Michihiro; Sawamura, Shota; Haraguchi, Aya; Morikubo, Jun; Takao, Koichiro; Tsubomura, Taro
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	1
Pages of publication	411 - 418
a	11.3979 ± 0.0007 Å
b	21.1386 ± 0.0011 Å
c	25.6198 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	6172.7 ± 0.6 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0797
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.2188
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
180034 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/28.	7032868.cif
131074	2015-02-04	cif/ Updating files of 7032867, 7032868 Original log message: Adding full bibliography for 7032867--7032868.cif.	7032868.cif
125654	2014-10-22	cif/ Adding structures of 7032867, 7032868 via cif-deposit CGI script.	7032868.cif