Crystallography Open Database

Information card for entry 4311950

4311949 << 4311950 >> 4311951

Preview

Coordinates	4311950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H66 B2 N10 Ru
Calculated formula	C74 H66 B2 N10 Ru
SMILES	[Ru]1234([n]5c(N6C=1N(C=C6)C)cccc5N1C=CN(C=21)C)[n]1c(N2C=3N(C=C2)C)cccc1N1C=CN(C=41)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Synthesis of Ru(II) Complexes of N-Heterocyclic Carbenes and Their Promising Photoluminescence Properties in Water
Authors of publication	Seung Uk Son; Kang Hyun Park; Young-Shin Lee; Bo Yun Kim; Cheol Ho Choi; Myoung Soo Lah; Yun Hee Jang; Du-Jeon Jang; Young Keun Chung
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6896 - 6898
a	18.2725 ± 0.0012 Å
b	18.1471 ± 0.0012 Å
c	19.0418 ± 0.0012 Å
α	90°
β	101.538 ± 0.001°
γ	90°
Cell volume	6186.5 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0532
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
179158 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/19.	4311950.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311950.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311950.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4311950.cif
3452	2010-11-15	../uploads/cif-deposit/cod/cif Adding structures of 4311950 via cif-deposit CGI script.	4311950.cif