Crystallography Open Database

Information card for entry 4311002

Preview

Coordinates	4311002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38.25 H36 B N6 O3 Zn
Calculated formula	C37 H0.6665 B N6 O3 Zn
Title of publication	Using Model Complexes To Augment and Advance Metalloproteinase Inhibitor Design
Authors of publication	Faith E. Jacobsen; Seth M. Cohen
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	3038 - 3047
a	11.3476 ± 0.0008 Å
b	17.3815 ± 0.0013 Å
c	17.7829 ± 0.0013 Å
α	90.55 ± 0.001°
β	103.822 ± 0.001°
γ	95.085 ± 0.001°
Cell volume	3390.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0751
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for significantly intense reflections	0.2236
Weighted residual factors for all reflections included in the refinement	0.2297
Goodness-of-fit parameter for all reflections included in the refinement	1.305
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
179149 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/10.	4311002.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311002.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311002.cif
2494	2010-11-10	../uploads/cif-deposit/cod/cif Adding structures of 4311002 via cif-deposit CGI script.	4311002.cif