Crystallography Open Database

Information card for entry 4083905

Preview

Coordinates	4083905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H37 Cl4 N4 Rh
Calculated formula	C48.983 H36.9983 Cl3.93867 N4 Rh
Title of publication	Alkylation of Rhodium Porphyrins Using Ammonium and Quinolinium Salts
Authors of publication	Thompson, Samuel J.; Dong, Guangbin
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	14
Pages of publication	3757
a	14.6621 ± 0.0016 Å
b	15.8247 ± 0.0017 Å
c	28.984 ± 0.003 Å
α	101.152 ± 0.003°
β	94.315 ± 0.003°
γ	110.111 ± 0.003°
Cell volume	6121.9 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1202
Residual factor for significantly intense reflections	0.0892
Weighted residual factors for significantly intense reflections	0.2287
Weighted residual factors for all reflections included in the refinement	0.2451
Goodness-of-fit parameter for all reflections included in the refinement	1.303
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178728 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/39.	4083905.cif
121329	2014-08-05	cif/ Updating files of 4083903, 4083904, 4083905, 4083906, 4083907 Original log message: Adding full bibliography for 4083903--4083907.cif.	4083905.cif
119597	2014-07-08	cif/ Adding structures of 4083903, 4083904, 4083905, 4083906, 4083907 via cif-deposit CGI script.	4083905.cif