Crystallography Open Database

Information card for entry 4086109

Preview

Coordinates	4086109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H52 N3 Rh
Calculated formula	C48 H52 N3 Rh
Title of publication	Rhodium(III) Azuliporphyrins
Authors of publication	Stateman, Leah M.; Ferrence, Gregory M.; Lash, Timothy D.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	15
Pages of publication	3842
a	12.7545 ± 0.0005 Å
b	18.2458 ± 0.0008 Å
c	19.1984 ± 0.0008 Å
α	66.274 ± 0.002°
β	87.481 ± 0.002°
γ	69.589 ± 0.002°
Cell volume	3809.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1035
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for all reflections included in the refinement	0.165
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	4086109.cif
154737	2015-09-06	cif/ Updating files of 4086108, 4086109, 4086110 Original log message: Adding full bibliography for 4086108--4086110.cif.	4086109.cif
152493	2015-07-24	cif/ Adding structures of 4086109 via cif-deposit CGI script.	4086109.cif