Crystallography Open Database

Information card for entry 4339799

Preview

Coordinates	4339799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C162 H144 Cl2 Mg N10 O2 P4 Rh2 S2 Zn
Calculated formula	C121.667 H92.3333 Cl1.33333 Mg0.666667 N6.66667 O2.60667 P2.66667 Rh1.33333 S1.33333 Zn0.666667
Title of publication	A convergent coordination chemistry-based approach to dissymmetric macrocyclic cofacial porphyrin complexes.
Authors of publication	Oliveri, Christopher G.; Heo, Jungseok; Nguyen, Sonbinh T.; Mirkin, Chad A.; Wawrzak, Zdzislaw
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	19
Pages of publication	7716 - 7718
a	13.306 ± 0.003 Å
b	24.747 ± 0.005 Å
c	28.07 ± 0.006 Å
α	77.17 ± 0.03°
β	77.22 ± 0.03°
γ	79.81 ± 0.03°
Cell volume	8709 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2236
Residual factor for significantly intense reflections	0.209
Weighted residual factors for significantly intense reflections	0.5085
Weighted residual factors for all reflections included in the refinement	0.5155
Goodness-of-fit parameter for all reflections included in the refinement	2.21
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
179500 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/97.	4339799.cif
117549	2014-06-15	cif/ Adding structures of 4339799 via cif-deposit CGI script.	4339799.cif