Crystallography Open Database

Information card for entry 1506848

Preview

Coordinates	1506848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H34 Cl4 N5 Rh
Calculated formula	C50 H34 Cl4 N5 Rh
SMILES	[Rh]123(Cl)(n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1ccccc1)cc2)c1ccccc1)cc3)c1ccccc1)cc6)c1ccccc1)[n]1ccccc1.ClC(Cl)Cl
Title of publication	STM Observation of Alkyl-Chain-Assisted Self-Assembled Monolayers of Pyridine-Coordinated Porphyrin Rhodium Chlorides
Authors of publication	Ikeda, Taichi; Asakawa, Masumi; Goto, Midori; Miyake, Koji; Ishida, Takao; Shimizu, Toshimi
Journal of publication	Langmuir
Year of publication	2004
Journal volume	20
Journal issue	13
Pages of publication	5454
a	17.547 ± 0.002 Å
b	25.181 ± 0.002 Å
c	9.817 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4337.7 ± 0.7 Å³
Cell temperature	193.2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.1549
Goodness-of-fit parameter for all reflections included in the refinement	1.197
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1506848.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506848.cif
51488	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506848 via cif-deposit CGI script.	1506848.cif