Crystallography Open Database

Information card for entry 4511205

Preview

Coordinates	4511205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H28 Cl I4 Mo N4 O3
Calculated formula	C51 H28 Cl I4 Mo N4 O3
Title of publication	Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2
Authors of publication	Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	7
Pages of publication	3557
a	38.4438 ± 0.0016 Å
b	16.317 ± 0.0007 Å
c	15.9435 ± 0.0006 Å
α	90°
β	104.165 ± 0.002°
γ	90°
Cell volume	9697.1 ± 0.7 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0808
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1549
Weighted residual factors for all reflections included in the refinement	0.1668
Goodness-of-fit parameter for all reflections included in the refinement	0.962
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
179659 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/12.	4511205.cif
119026	2014-07-05	cif/ Updating files of 4511199, 4511200, 4511201, 4511202, 4511203, 4511204, 4511205, 4511206, 4511207, 4511208, 4511209 Original log message: Adding full bibliography for 4511199--4511209.cif.	4511205.cif
114963	2014-05-31	cif/ Adding structures of 4511199, 4511200, 4511201, 4511202, 4511203, 4511204, 4511205, 4511206, 4511207, 4511208, 4511209 via cif-deposit CGI script.	4511205.cif