Crystallography Open Database

Information card for entry 4500578

Preview

Coordinates	4500578.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H27 N3 O5 Zn
Calculated formula	C31 H27 N3 O5 Zn
Title of publication	Reversible Single-Crystal to Single-Crystal Exchange of Guests in a Seven-Fold Interpenetrated Diamondoid Coordination Polymer
Authors of publication	Sharma, Manish K.; Lama, Prem; Bharadwaj, Parimal K.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	4
Pages of publication	1411
a	13.507 ± 0.004 Å
b	24.837 ± 0.01 Å
c	8.406 ± 0.003 Å
α	90°
β	98.841 ± 0.005°
γ	90°
Cell volume	2786.5 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0828
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1438
Weighted residual factors for all reflections included in the refinement	0.2191
Goodness-of-fit parameter for all reflections included in the refinement	1.198
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
179536 (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 4/50/05.	4500578.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500578.cif
34555	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500575, 4500576, 4500577, 4500578 via cif-deposit CGI script.	4500578.cif