Crystallography Open Database

Information card for entry 7038472

Preview

Coordinates	7038472.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C110 H81 Br4 Cl2 N13 O2 P4 Rh2
Calculated formula	C110 H81 Br4 Cl2 N13 O2 P4 Rh2
Title of publication	RhCl(PPh3)3-mediated C-H oxyfunctionalization of pyrrolido-functionalized bisazoaromatic pincers: a combined experimental and theoretical scrutiny of redox-active and spectroscopic properties.
Authors of publication	Ghorui, Tapas; Roy, Sima; Pramanik, Shuvam; Pramanik, Kausikisankar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	13
Pages of publication	5720 - 5729
a	31.485 ± 0.0011 Å
b	16.3476 ± 0.0005 Å
c	19.352 ± 0.0006 Å
α	90°
β	99.332 ± 0.001°
γ	90°
Cell volume	9828.7 ± 0.5 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0741
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1043
Weighted residual factors for all reflections included in the refinement	0.1198
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
181637 (current)	2016-04-05	cif/ Updating files of 7038472 Original log message: Adding full bibliography for 7038472.cif.	7038472.cif
176782	2016-02-20	cif/ Adding structures of 7038472 via cif-deposit CGI script.	7038472.cif