Crystallography Open Database

Information card for entry 4516567

Preview

Coordinates	4516567.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H52 Cd2 N4 O9
Calculated formula	C84 H52 Cd2 N4 O9
SMILES	c1[n]2[Cd]34([n]5c6c2c(cc1)ccc6ccc5)([O](C(=O)c1c2c(cccc2)cc2ccccc12)[Cd]1([OH2]3)([n]2cccc3ccc5c(c23)[n]1ccc5)([O]4C(=O)c1c2ccccc2cc2ccccc12)OC(=O)c1c2c(cc3c1cccc3)cccc2)OC(=O)c1c2c(cc3c1cccc3)cccc2
Title of publication	Luminescent Metal‒Organic Complexes of Pyrene or Anthracene Chromophores: Energy Transfer Assisted Amplified Exciplex Emission and Al3+ Sensing
Authors of publication	Haldar, Ritesh; Prasad, Komal; Samanta, Pralok Kumar; Pati, Swapan; Maji, Tapas Kumar
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	16
Journal issue	1
Pages of publication	82
a	22.88 ± 0.0005 Å
b	17.8769 ± 0.0004 Å
c	17.9672 ± 0.0004 Å
α	90°
β	113.907 ± 0.001°
γ	90°
Cell volume	6718.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0825
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.1101
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
231382 (current)	2019-11-22	cif/ Adding structures of 4516566, 4516567 via cif-deposit CGI script.	4516567.cif