Crystallography Open Database

Information card for entry 4001632

Preview

Coordinates	4001632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H40 Cu2 I2 N4
Calculated formula	C34 H27 Cu2 I2 N4
Title of publication	Assembly, Two-Photon Absorption, and Bioimaging of Living Cells of A Cuprous Cluster
Authors of publication	Wang, Xuchun; Tian, Xiaohe; Zhang, Qiong; Sun, Pingping; Wu, Jieying; Zhou, Hongping; Jin, Baokang; Yang, Jiaxiang; Zhang, Shengyi; Wang, Chuankui; Tao, Xutang; Jiang, Minhua; Tian, Yupeng
Journal of publication	Chemistry of Materials
Year of publication	2012
Journal volume	24
Journal issue	5
Pages of publication	954
a	31.674 ± 0.014 Å
b	10.142 ± 0.005 Å
c	24.001 ± 0.01 Å
α	90°
β	115.291 ± 0.006°
γ	90°
Cell volume	6971 ± 5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.1285
Residual factor for significantly intense reflections	0.0795
Weighted residual factors for significantly intense reflections	0.2013
Weighted residual factors for all reflections included in the refinement	0.2434
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001632.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001632.cif
51854	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4001632 via cif-deposit CGI script.	4001632.cif