Crystallography Open Database

Information card for entry 4505322

Preview

Coordinates	4505322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C372 H336 N48 O78
Calculated formula	C372 H264 N48 O78
Title of publication	Symmetry Mismatching as a Tool in the Synthesis of Complex Supramolecular Solids with Multiple Cavities
Authors of publication	Ma, Bao-Qing; Coppens, Philip
Journal of publication	Crystal Growth & Design
Year of publication	2004
Journal volume	4
Journal issue	2
Pages of publication	211
a	20.969 ± 0.005 Å
b	22.052 ± 0.005 Å
c	37.511 ± 0.01 Å
α	81.838 ± 0.006°
β	76.68 ± 0.006°
γ	87.209 ± 0.007°
Cell volume	16706 ± 7 Å³
Cell temperature	90 ± 1 K
Ambient diffraction temperature	90 ± 1 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	0.163
Residual factor for significantly intense reflections	0.121
Weighted residual factors for significantly intense reflections	0.3147
Weighted residual factors for all reflections included in the refinement	0.3599
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
179588 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/53.	4505322.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505322.cif
51385	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505322, 4505323 via cif-deposit CGI script.	4505322.cif