Crystallography Open Database

Information card for entry 4321193

Preview

Coordinates	4321193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H27 N4 O3 Rh
Calculated formula	C43 H27 N4 O3 Rh
SMILES	[Rh]1(n2c3c4[nH]c(cc4)C(=c4oc(=C(c5[nH]c(C6=[N]1C(=C(c2cc3)c1ccccc1)C=C6)cc5)c1ccccc1)cc4)c1ccccc1)(C#[O])C#[O]
Title of publication	meso-Aryl Smaragdyrins: Novel Anion and Metal Receptors
Authors of publication	Bashyam Sridevi; Seenichamy Jeyaprakash Narayanan; Rohini Rao; Tavarekere K. Chandrashekar; Ulrich Englich; Karin Ruhlandt-Senge
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	3669 - 3677
a	11.836 ± 0.008 Å
b	12.495 ± 0.009 Å
c	12.67 ± 0.002 Å
α	69.09 ± 0.06°
β	78.78 ± 0.06°
γ	77.02 ± 0.05°
Cell volume	1692.1 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.1047
Goodness-of-fit parameter for all reflections included in the refinement	0.832
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
179314 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/11.	4321193.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321193.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321193.cif
18543	2011-05-02	../uploads/cif-deposit/cod/cif Adding structures of 4321193 via cif-deposit CGI script.	4321193.cif