Crystallography Open Database

Information card for entry 7247360

Preview

Coordinates	7247360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H13 Cd N O5
Calculated formula	C10 H13 Cd N O5
Title of publication	Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects
Authors of publication	Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	38
Pages of publication	5428 - 5435
a	9.3792 ± 0.0004 Å
b	9.3792 ± 0.0004 Å
c	22.4879 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	1713.21 ± 0.12 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	169
Hermann-Mauguin space group symbol	P 61
Hall space group symbol	P 61
Residual factor for all reflections	0.0327
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0453
Weighted residual factors for all reflections included in the refinement	0.0463
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
286747 (current)	2023-10-06	cif/ Updating files of 7247360, 7247361, 7247362 Original log message: Adding full bibliography for 7247360--7247362.cif.	7247360.cif
286299	2023-09-12	cif/ Adding structures of 7247360, 7247361, 7247362 via cif-deposit CGI script.	7247360.cif